(NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide

C14H22N4OS — CID 142829451

IUPAC(NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1cccnc1N1CCNCC1
InChIInChI=1S/C14H22N4OS/c1-14(2,3)20(19)17-11-12-5-4-6-16-13(12)18-9-7-15-8-10-18/h4-6,11,15H,7-10H2,1-3H3/b17-11+
InChIKeyRISXQMJAVVHMJG-GZTJUZNOSA-N
MW294.42 g/mol
LogP1.37
Rot. Bonds3

About (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide

(NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide (PubChem CID 142829451) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide
PubChem CID142829451
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1cccnc1N1CCNCC1
InChIInChI=1S/C14H22N4OS/c1-14(2,3)20(19)17-11-12-5-4-6-16-13(12)18-9-7-15-8-10-18/h4-6,11,15H,7-10H2,1-3H3/b17-11+
InChIKeyRISXQMJAVVHMJG-GZTJUZNOSA-N
XLogP1.37
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide (CID 142829451) is (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide is CC(C)(C)S(=O)/N=C/c1cccnc1N1CCNCC1.
What is the InChIKey of (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide?
The InChIKey is RISXQMJAVVHMJG-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-14(2,3)20(19)17-11-12-5-4-6-16-13(12)18-9-7-15-8-10-18/h4-6,11,15H,7-10H2,1-3H3/b17-11+.
What are the key properties of (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide?
(NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide has a molecular weight of 294.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 142829451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).